BDBM50422052 CHEMBL109952::L-700417
SMILES: OC(C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
InChI Key: InChIKey=NNOFYWJFSHHUJW-NDYAMACHSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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HIV-1 protease (Human immunodeficiency virus) | BDBM50422052 (CHEMBL109952 | L-700417) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB Article PubMed | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-National Chemical Laboratory Curated by ChEMBL | Assay Description Inhibition of recombinant HIV protease expressed in inclusion bodies of Escherichia coli BL21 (DE3) | J Med Chem 61: 3779-3798 (2018) Article DOI: 10.1021/acs.jmedchem.7b00718 BindingDB Entry DOI: 10.7270/Q2GT5QTK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50422052 (CHEMBL109952 | L-700417) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB Article PubMed | n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Alcal£ Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 protease. | J Med Chem 41: 836-52 (1998) Article DOI: 10.1021/jm970535b BindingDB Entry DOI: 10.7270/Q21R6RTN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50422052 (CHEMBL109952 | L-700417) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of HIV1 protease | Bioorg Med Chem Lett 18: 5406-10 (2008) Article DOI: 10.1016/j.bmcl.2008.09.044 BindingDB Entry DOI: 10.7270/Q29K4F1M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50422052 (CHEMBL109952 | L-700417) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB Article PubMed | n/a | n/a | n/a | 0.708 | n/a | n/a | n/a | n/a | n/a |
Harvard University Curated by ChEMBL | Assay Description Affinity for HIV Protease | J Med Chem 45: 2770-80 (2002) Article DOI: 10.1021/jm0105833 BindingDB Entry DOI: 10.7270/Q2MG7S8S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50422052 (CHEMBL109952 | L-700417) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PubMed | n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of HIV-1 protease was determined in vitro | J Med Chem 38: 305-17 (1995) Checked by Author BindingDB Entry DOI: 10.7270/Q23T9G8M | |||||||||||
More data for this Ligand-Target Pair |